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Methyldopate

CAT: 0013-GTR19191979-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191979-01Size:2 mg
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Description
Methyldopate is the ethyl ester prodrug of methyldopa, a dopamine decarboxylase inhibitor with demonstrated antihypertensive properties. It is used in research to study hypertension mechanisms, employing both in vitro enzymatic assays and in vivo animal models of high blood pressure.
CAS Number
6014-30-8
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
CCOC (=O) [C@@] (C) (N) Cc1ccc (O) c (O) c1
Molecular Formula
C12H17NO4
Molecular Weight
239.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyldopate

Alpha-methyl-L-dopa ethyl ester is the ethyl ester of alpha-methyl-L-dopa. It has a role as an alpha-adrenergic agonist and an antihypertensive agent. It is an ethyl ester and a member of amphetamines. It is functionally related to an alpha-methyl-L-dopa.

CAS Number6014-30-8
PubChem CID17277
IUPAC Nameethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate
Molecular FormulaC12H17NO4
Molecular Weight239.27
XLogP1
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity271
SMILES
CCOC(=O)[C@](C)(CC1=CC(=C(C=C1)O)O)N
InChI
InChI=1S/C12H17NO4/c1-3-17-11(16)12(2,13)7-8-4-5-9(14)10(15)6-8/h4-6,14-15H,3,7,13H2,1-2H3/t12-/m0/s1
InChIKey
SVEBYYWCXTVYCR-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Methyldopate
CAS: 6014-30-8
CID: 17277
Formula: C12H17NO4
MW: 239.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.27
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass239.11575802
Monoisotopic Mass239.11575802
Topological Polar Surface Area92.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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